Vitas-M small molecule compound
N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK083941
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H13ClF3N3O4S MW 447.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClF3N3O4S/c1-2-28-14-6-3-9(7-13(14)24(26)27)15(25)23-16(29)22-12-8-10(17(19,20)21)4-5-11(12)18/h3-8H,2H2,1H3,(H2,22,23,25,29)InChIKey
XDPDOGUCRUNWAA-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F
InChI=1SC17H13ClF3N3O4Sc122814639(713(14)24(26)27)15(25)2316(29)2212810(17(1920)21)4511(12)18h38H2H21H3(H222232529)
MFCD02626957
N((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
STK083941
ZINC000001173594
ZINC01173594
ZINC1173594
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